2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide

C23H21FN4O3 — CID 53108011

IUPAC2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide
SMILESCCc1nc(OCC(=O)NC(C)c2ccccc2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C23H21FN4O3/c1-3-18-26-22(30-13-19(29)25-14(2)15-7-5-4-6-8-15)20-21(28-31-23(20)27-18)16-9-11-17(24)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,25,29)
InChIKeyKYGAEFBOTZVWSZ-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.24
Rot. Bonds7

About 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide

2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide (PubChem CID 53108011) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide
PubChem CID53108011
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide
SMILESCCc1nc(OCC(=O)NC(C)c2ccccc2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C23H21FN4O3/c1-3-18-26-22(30-13-19(29)25-14(2)15-7-5-4-6-8-15)20-21(28-31-23(20)27-18)16-9-11-17(24)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,25,29)
InChIKeyKYGAEFBOTZVWSZ-UHFFFAOYSA-N
XLogP4.24
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
CID 53199219
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide
CID 53108016
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 163002409
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107907
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315

Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide (CID 53108011) is 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide is CCc1nc(OCC(=O)NC(C)c2ccccc2)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide?
The InChIKey is KYGAEFBOTZVWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-3-18-26-22(30-13-19(29)25-14(2)15-7-5-4-6-8-15)20-21(28-31-23(20)27-18)16-9-11-17(24)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,25,29).
What are the key properties of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide?
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide has a molecular weight of 420.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 53108011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).